Basic information
- CAS
17001-24-0- Standard SMILES
CCCCC(C)CCCCCCCCCCC(=O)O- InChIKey
JKCYVUZEGXBWNK-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Overview
12-methyl-hexadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 12-Methylhexadecanoic acid
- IUPAC
- 12-methylhexadecanoic acid
- English name
- 12-methylhexadecanoic acid
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
12-Methylhexadecanoic acid12-Methylpalmitic acid17001-24-0DTXSID80937724RefChem:908072DTXCID00136627712-methyl-hexadecanoic acid12-Methyl-hexadecansaureHexadecanoic acid, 12-methyl-SCHEMBL2182556CHEBI:179977JKCYVUZEGXBWNK-UHFFFAOYSA-N
Show more names
LMFA01020195
Database identifiers
- CAS
17001-24-0- PubChem CID
- 152201
- DTXSID
DTXSID80937724- ChEBI
CHEBI:179977- Nikkaji
- J387.534B
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Boiling point
- 358.05 °C · 358.05°C (estimate)
- Density
- 0.8791 · 0.8791 (rough estimate)
- refractive index
- 1.4405 · 1.4405 (estimate)
- LogP
- 7.5 · 7.500 (est)
Chemistry & industry
Additional notes
DefinitionChEBI: 12-methyl-hexadecanoic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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